SCHEMBL69798

SCHEMBL69798

CN(c1ccccc1C(F)(F)F)C1CCN(C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
CCR2 P41597 1/20 0.47
CHRM4 P08173 3/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
EPHX2 P34913 2/20 0.44
RBP4 P02753 1/20 0.44
TAOK1 Q7L7X3 1/20 0.43
TAOK3 Q9H2K8 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.42
SMO Q99835 1/20 0.42
KDM4E B2RXH2 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29382080 1.00 SMN1; SMN2 (0.49) SMN1; SMN2CCR2CHRM4RAB9ANPC1
SCHEMBL70156 0.90 SMN1; SMN2 (0.47) SMN1; SMN2CCR2RAB9ANPC1GAA
SCHEMBL29384463 0.86 SMN1; SMN2 (0.54) SMN1; SMN2CCR2CHRM4RAB9AALDH1A1
SCHEMBL69742 0.86 SMN1; SMN2 (0.51) SMN1; SMN2CCR2CHRM4RAB9AALDH1A1
SCHEMBL70517 0.86 SMN1; SMN2 (0.54) SMN1; SMN2CCR2CHRM4RAB9AALDH1A1
SCHEMBL29384697 0.86 SMN1; SMN2 (0.51) SMN1; SMN2CCR2CHRM4RAB9AALDH1A1
SCHEMBL69191 0.83 SCD5 (0.52) SMN1; SMN2CCR2RAB9ANPC1ALDH1A1
SCHEMBL29385676 0.83 SCD5 (0.52) SMN1; SMN2CCR2RAB9ANPC1ALDH1A1
SCHEMBL29381924 0.81 SCD (0.56) SMN1; SMN2CCR2RAB9ANPC1GAA
SCHEMBL69750 0.81 SCD (0.56) SMN1; SMN2CCR2RAB9ANPC1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP claimed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SMN1; SMN2 3937/4885CCR2 1423/4885CHRM4 4778/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.